1-(2,3-dimethylphenyl)-3-[(4-methylphenyl)methyl]urea

C17H20N2O — CID 17263304

IUPAC1-(2,3-dimethylphenyl)-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C17H20N2O/c1-12-7-9-15(10-8-12)11-18-17(20)19-16-6-4-5-13(2)14(16)3/h4-10H,11H2,1-3H3,(H2,18,19,20)
InChIKeyZKCDUJAQEZSVJX-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.93
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-3-[(4-methylphenyl)methyl]urea

1-(2,3-dimethylphenyl)-3-[(4-methylphenyl)methyl]urea (PubChem CID 17263304) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-[(4-methylphenyl)methyl]urea
PubChem CID17263304
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-(2,3-dimethylphenyl)-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C17H20N2O/c1-12-7-9-15(10-8-12)11-18-17(20)19-16-6-4-5-13(2)14(16)3/h4-10H,11H2,1-3H3,(H2,18,19,20)
InChIKeyZKCDUJAQEZSVJX-UHFFFAOYSA-N
XLogP3.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-N'-(2,3-dimethylphenyl)-1-N-[(4-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975263
1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)propan-2-yl]urea
CID 70615302
N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 24604792
N-methyl-2-[2-[(4-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 47033746
1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719
1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 47133695
1-(2,3-dimethylphenyl)-3-(2-hydroxyethyl)urea
CID 47238057
1-[(4-methylphenyl)methyl]-3-(2-sulfamoylphenyl)urea
CID 20694113
1-(2,3-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881295
1-(4-bromo-2-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3790845
1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215273
1-(2-methyl-5-methylsulfonylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 47033074

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-[(4-methylphenyl)methyl]urea (CID 17263304) is 1-(2,3-dimethylphenyl)-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-[(4-methylphenyl)methyl]urea is Cc1ccc(CNC(=O)Nc2cccc(C)c2C)cc1.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-[(4-methylphenyl)methyl]urea?
The InChIKey is ZKCDUJAQEZSVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-7-9-15(10-8-12)11-18-17(20)19-16-6-4-5-13(2)14(16)3/h4-10H,11H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-(2,3-dimethylphenyl)-3-[(4-methylphenyl)methyl]urea?
1-(2,3-dimethylphenyl)-3-[(4-methylphenyl)methyl]urea has a molecular weight of 268.36 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 17263304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).